标题: Dalton报错Nuclear charge 35 is an unsupported element for basis 6-31G* [打印本页] 作者Author: zj123_45 时间: 2020-11-14 13:59 标题: Dalton报错Nuclear charge 35 is an unsupported element for basis 6-31G* 老师们好，我在用dalton计算含有Br，N,C, H分子的T1-S0D的跃迁偶极矩时报错，选用的基组是6-31g(d),报错信息如下：
327: ERROR: Nuclear charge 35 is an unsupported element for basis 6-31G*
328: ERROR: You must choose another basis set, or enter it manually.